LMST01010274
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    8.5066    8.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5615    7.9978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5615    6.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5066    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519    6.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3970    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3426    6.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3426    7.9978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3970    8.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519    7.9978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3970    9.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3426   10.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2874    9.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2874    8.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1782    8.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1782    9.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2329   10.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2874   10.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519    8.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2329   11.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3440   11.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9890   11.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7452   11.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5013   11.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2576   11.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0137   11.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2576   10.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3426    8.9257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2874    7.6967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8450   10.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2329   11.9851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3970    7.7147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    6.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9814    9.2326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
  8 28  1  1  0  0  0
 14 29  1  6  0  0  0
 17 30  1  6  0  0  0
 20 31  1  1  0  0  0
  9 32  1  6  0  0  0
  3 33  1  1  0  0  0
 19 34  1  0  0  0  0
M  END
> <LM_ID>
LMST01010274

> <COMMON_NAME>
19-hydroxycholesterol

> <SYSTEMATIC_NAME>
Cholest-5-en-3beta,19-diol

> <FORMULA>
C27H46O2

> <MASS>
402.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YRWIUNJQYGATHV-FTLVODPJSA-N

> <INCHI>
InChI=1S/C27H46O2/c1-18(2)6-5-7-19(3)23-10-11-24-22-9-8-20-16-21(29)12-15-27(20,17-28)25(22)13-14-26(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t19-,21+,22+,23-,24+,25+,26-,27-/m1/s1

> <SMILES>
C1[C@]2(CO)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166800

> <ABBREVIATION>
ST 27:1;O2

> <CAYMAN_ID>
15209

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6453303

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
1543714

$$$$